chempirical

N,N-Diethyl-1,4-pentanediamine

C9H22N2CAS 140-80-7158.29 g/mol

Open in Covalent MOL file
NNH2
Primary amineTertiary amine

Properties

Molecular formula
C9H22N2
Molar mass
158.29 g/mol
Exact mass
158.1783 Da
Density
0.819 g/mL (at 26 °C)
Melting point
42–44 °C
Boiling point
201 °C
logP
1.46Crippen estimate
Polar surface area
29.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
6

Identifiers

CAS number
140-80-7
SMILES
CCN(CC)CCCC(C)N
InChIKey
CAPCBAYULRXQAN-UHFFFAOYSA-N
InChI
InChI=1S/C9H22N2/c1-4-11(5-2)8-6-7-9(3)10/h9H,4-8,10H2,1-3H3

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Names and synonyms

15 names · show all
  • 1,4-Pentanediamine, N1,N1-diethyl-
  • N1,N1-Diethyl-1,4-pentanediamine
  • 2-Amino-5-(diethylamino)pentane
  • 2-Amino-5-diethylamino-n-pentane
  • 4-Amino-1-(diethylamino)pentane
  • 1-(Diethylamino)-4-aminopentane
  • δ-(Diethylamino)-α-methylbutylamine
  • Novoldiamine
  • 1-Methyl-4-(diethylamino)butylamine
  • 4-(Diethylamino)-1-methylbutylamine
  • 5-(Diethylamino)-2-pentylamine
  • N5,N5-Diethyl-2,5-pentanediamine
  • 5-(Diethylamino)-2-pentanamine
  • NSC 2606
  • (4-Aminopentyl)diethylamine

Work with N,N-Diethyl-1,4-pentanediamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-[(4-Aminopentyl)ethylamino]ethanol69559-11-173 % similar 2-Aminoheptane123-82-050 % similar N,N-Diethyl-1,3-propanediamine104-78-946 % similar (±)-1,5-Dimethylhexylamine543-82-846 % similar N,N-Diethyl-1,4-butanediamine27431-62-545 % similar 1-Ethyl-4-piperidinamine50534-45-745 % similar 2-Pentanamine63493-28-744 % similar 1-Ethylpyrrolidine7335-06-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,9-Nonanediamine646-24-2

Elsewhere

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